6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one

C18H23NO2 — CID 5149428

IUPAC6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
SMILESCc1cc2oc(=O)cc(CN3CCCCC3C)c2cc1C
InChIInChI=1S/C18H23NO2/c1-12-8-16-15(11-19-7-5-4-6-14(19)3)10-18(20)21-17(16)9-13(12)2/h8-10,14H,4-7,11H2,1-3H3
InChIKeyRYRCCGJUKBRKPO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.78
Rot. Bonds2

About 6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one

6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one (PubChem CID 5149428) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one.

Molecular Properties

Compound Name6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
PubChem CID5149428
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
SMILESCc1cc2oc(=O)cc(CN3CCCCC3C)c2cc1C
InChIInChI=1S/C18H23NO2/c1-12-8-16-15(11-19-7-5-4-6-14(19)3)10-18(20)21-17(16)9-13(12)2/h8-10,14H,4-7,11H2,1-3H3
InChIKeyRYRCCGJUKBRKPO-UHFFFAOYSA-N
XLogP3.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one?
The IUPAC name of 6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one (CID 5149428) is 6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one.
What is the SMILES notation for 6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one?
The canonical SMILES for 6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one is Cc1cc2oc(=O)cc(CN3CCCCC3C)c2cc1C.
What is the InChIKey of 6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one?
The InChIKey is RYRCCGJUKBRKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-8-16-15(11-19-7-5-4-6-14(19)3)10-18(20)21-17(16)9-13(12)2/h8-10,14H,4-7,11H2,1-3H3.
What are the key properties of 6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one?
6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one is sourced from PubChem (CID 5149428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).